| CAS Number | 1269060-45-8 |
| Catalog Number | AG00J2EK(AGN-PC-0WB76V) |
| Chemical Name | 3-(Thiophen-3-yl)-1H-pyrazole hydrate |
| IUPAC Name | 5-thiophen-3-yl-1H-pyrazole;hydrate |
| InChI | InChI=1S/C7H6N2S.H2O/c1-3-8-9-7(1)6-2-4-10-5-6;/h1-5H,(H,8,9);1H2 |
| InChI Key | WKDDXIHIUCSANF-UHFFFAOYSA-N |
| MDL Number | MFCD04035695 |
| Molecular Formula | C7H8N2OS |
| Molecular Weight | 168.2162 |
| SMILES | C1(C=CSC=1)C1C=CNN=1.O |
| Synonyms | 3-(3-Thienyl)-1H-pyrazole hydrate,
1269060-45-8,
3-(Thiophen-3-yl)-1H-pyrazole hydrate,
ZX-CM009307,
MFCD18483561,
AKOS027426302,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.214g/mol |
| Monoisotopic Mass | 168.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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